3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide

C19H26N6O4 — CID 30891861

IUPAC3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
SMILESCCCCn1c(N)c(N(CCC(=O)NC(N)=O)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N6O4/c1-2-3-10-25-16(20)15(17(27)23-19(25)29)24(11-9-14(26)22-18(21)28)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12,20H2,1H3,(H,23,27,29)(H3,21,22,26,28)
InChIKeyNPXDLMRCJGMENR-UHFFFAOYSA-N
MW402.46 g/mol
LogP0.51
Rot. Bonds9

About 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide

3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide (PubChem CID 30891861) has the molecular formula C19H26N6O4 and a molecular weight of 402.46 g/mol. Its IUPAC name is 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
PubChem CID30891861
Molecular FormulaC19H26N6O4
Molecular Weight402.46 g/mol
Exact Mass402.20
IUPAC Name3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide
SMILESCCCCn1c(N)c(N(CCC(=O)NC(N)=O)Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N6O4/c1-2-3-10-25-16(20)15(17(27)23-19(25)29)24(11-9-14(26)22-18(21)28)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12,20H2,1H3,(H,23,27,29)(H3,21,22,26,28)
InChIKeyNPXDLMRCJGMENR-UHFFFAOYSA-N
XLogP0.51
TPSA156.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(1-phenylethyl)acetamide
CID 43061837
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
ethyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]acetyl]piperazine-1-carboxylate
CID 34651964
6-amino-5-[benzyl-[(4-nitrophenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 33411212
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 30871126
6-amino-5-[benzyl-[2-(4-chlorophenyl)sulfonylethyl]amino]-1-butylpyrimidine-2,4-dione
CID 30871068
6-amino-5-[benzyl-(2-morpholin-4-yl-2-oxoethyl)amino]-1-butylpyrimidine-2,4-dione
CID 34651310
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-chlorophenyl)propanamide
CID 34196228
6-amino-1-butyl-5-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]pyrimidine-2,4-dione
CID 110009359
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 34651789
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 30871118
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 34652407

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide?
The IUPAC name of 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide (CID 30891861) is 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide.
What is the SMILES notation for 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide?
The canonical SMILES for 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide is CCCCn1c(N)c(N(CCC(=O)NC(N)=O)Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide?
The InChIKey is NPXDLMRCJGMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O4/c1-2-3-10-25-16(20)15(17(27)23-19(25)29)24(11-9-14(26)22-18(21)28)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12,20H2,1H3,(H,23,27,29)(H3,21,22,26,28).
What are the key properties of 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide?
3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide has a molecular weight of 402.46 g/mol, XLogP of 0.51, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-carbamoylpropanamide is sourced from PubChem (CID 30891861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).